PrMg2Cu
Alexandria ALEXAlex-ID: agm005691383 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
PrMg2Cu
2023-07-12 08:06:28.352115
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691383).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005691383
data_agm005691383
_cell_length_a 5.56123
_cell_length_b 8.12291
_cell_length_c 16.36765
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 739.38234
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.42978 0.25000 0.13738 1.00000
Pr2 Pr 0.92978 0.75000 0.36262 1.00000
Pr3 Pr 0.57022 0.75000 0.86262 1.00000
Pr4 Pr 0.07022 0.25000 0.63738 1.00000
Pr5 Pr 0.75273 0.25000 0.39358 1.00000
Pr6 Pr 0.25273 0.75000 0.10642 1.00000
Pr7 Pr 0.24727 0.75000 0.60642 1.00000
Pr8 Pr 0.74727 0.25000 0.89358 1.00000
Mg1 Mg 0.93929 0.05524 0.21358 1.00000
Mg2 Mg 0.43929 0.94476 0.28642 1.00000
Mg3 Mg 0.06071 0.55524 0.78642 1.00000
Mg4 Mg 0.56071 0.44476 0.71358 1.00000
Mg5 Mg 0.06071 0.94476 0.78642 1.00000
Mg6 Mg 0.56071 0.05524 0.71358 1.00000
Mg7 Mg 0.93929 0.44476 0.21358 1.00000
Mg8 Mg 0.43929 0.55524 0.28642 1.00000
Mg9 Mg 0.75738 0.55462 0.03907 1.00000
Mg10 Mg 0.25738 0.44538 0.46093 1.00000
Mg11 Mg 0.24262 0.05462 0.96093 1.00000
Mg12 Mg 0.74262 0.94538 0.53907 1.00000
Mg13 Mg 0.24262 0.44538 0.96093 1.00000
Mg14 Mg 0.74262 0.55462 0.53907 1.00000
Mg15 Mg 0.75738 0.94538 0.03907 1.00000
Mg16 Mg 0.25738 0.05462 0.46093 1.00000
Cu1 Cu 0.24435 0.25000 0.31635 1.00000
Cu2 Cu 0.74435 0.75000 0.18365 1.00000
Cu3 Cu 0.75565 0.75000 0.68365 1.00000
Cu4 Cu 0.25565 0.25000 0.81635 1.00000
Cu5 Cu 0.94457 0.25000 0.06806 1.00000
Cu6 Cu 0.44457 0.75000 0.43194 1.00000
Cu7 Cu 0.05543 0.75000 0.93194 1.00000
Cu8 Cu 0.55543 0.25000 0.56806 1.00000
